5-(4-bromophenyl)pentanoic acid

C11H13BrO2 — CID 10801119

IUPAC5-(4-bromophenyl)pentanoic acid
SMILESO=C(O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C11H13BrO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14)
InChIKeyYWILUDBFIBDCNN-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.25
Rot. Bonds5

About 5-(4-bromophenyl)pentanoic acid

5-(4-bromophenyl)pentanoic acid (PubChem CID 10801119) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-(4-bromophenyl)pentanoic acid.

Molecular Properties

Compound Name5-(4-bromophenyl)pentanoic acid
PubChem CID10801119
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name5-(4-bromophenyl)pentanoic acid
SMILESO=C(O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C11H13BrO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14)
InChIKeyYWILUDBFIBDCNN-UHFFFAOYSA-N
XLogP3.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)pentanoic acid?
The IUPAC name of 5-(4-bromophenyl)pentanoic acid (CID 10801119) is 5-(4-bromophenyl)pentanoic acid.
What is the SMILES notation for 5-(4-bromophenyl)pentanoic acid?
The canonical SMILES for 5-(4-bromophenyl)pentanoic acid is O=C(O)CCCCc1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)pentanoic acid?
The InChIKey is YWILUDBFIBDCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14).
What are the key properties of 5-(4-bromophenyl)pentanoic acid?
5-(4-bromophenyl)pentanoic acid has a molecular weight of 257.13 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)pentanoic acid is sourced from PubChem (CID 10801119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).